2-[3-(butanoylamino)-2-oxidanylidene-4-(3-oxidanylidene-3-propan-2-yloxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[3-(butanoylamino)-2-oxidanylidene-4-(3-oxidanylidene-3-propan-2-yloxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-(butanoylamino)-2-(3-isopropoxy-3-oxo-propyl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 3-methyl-2-[2-oxo-3-(1-oxobutylamino)-4-[(3-oxo-3-propan-2-yloxypropyl)thio]-1-azetidinyl]-2-butenoic acid IUPAC Name: 2-[3-(butanoylamino)-2-oxo-4-(3-oxo-3-propan-2-yloxypropyl)sulfanylazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[3-butyramido-2-[(3-isopropoxy-3-keto-propyl)thio]-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1C(N(C1=O)C(=C(C)C)C(=O)O)SCCC(=O)OC(C)C

Isomeric SMILES

CCCC(=O)NC1C(N(C1=O)C(=C(C)C)C(=O)O)SCCC(=O)OC(C)C

InChI

InChI=1S/C18H28N2O6S/c1-6-7-12(21)19-14-16(23)20(15(10(2)3)18(24)25)17(14)27-9-8-13(22)26-11(4)5/h11,14,17H,6-9H2,1-5H3,(H,19,21)(H,24,25)